4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-2,6-dinitro-phenol

Systemtic Name: 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-2,6-dinitro-phenol Openeye Name: 4-(1-methyltetrazol-5-yl)sulfanyl-2,6-dinitro-phenol CAS Name: 4-[(1-methyl-5-tetrazolyl)thio]-2,6-dinitrophenol IUPAC Name: 4-(1-methyltetrazol-5-yl)sulfanyl-2,6-dinitrophenol Traditional Name: 4-[(1-methyltetrazol-5-yl)thio]-2,6-dinitro-phenol Formula: C8H6N6O5S MolecularWeight: 298.23544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=CC(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SC2=CC(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C8H6N6O5S/c1-12-8(9-10-11-12)20-4-2-5(13(16)17)7(15)6(3-4)14(18)19/h2-3,15H,1H3